SCHEMBL4990132

SCHEMBL4990132

N=C(N)NCCC[C@H](NC(=O)c1cccc(=O)n1Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.60
C3AR1 Q16581 7/20 0.39
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 1/20 0.38
GNPAT O15228 1/20 0.36
FOLH1 Q04609 2/20 0.36
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGAV P06756 1/20 0.35
ALB P02768 1/20 0.35
PADI6 Q6TGC4 1/20 0.35
F10 P00742 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4433107 0.80 C3AR1 (0.40) CAPN1C3AR1ACHEBCHEITGB3
SCHEMBL4986323 0.80 C3AR1 (0.40) CAPN1C3AR1ITGB3ITGA2BITGB1
SCHEMBL4986587 0.79 BRD4 (0.52) C3AR1ACHEBCHEFOLH1ALB
SCHEMBL4996193 0.78 PRMT5 (0.45) C3AR1ACHEBCHEALBPADI6
SCHEMBL4989795 0.77 C3AR1 (0.56) C3AR1
SCHEMBL14090758 0.77 C3AR1 (0.56) C3AR1
SCHEMBL4989846 0.77 C3AR1 (0.56) C3AR1
SCHEMBL188590 0.77 C3AR1 (0.52) C3AR1FOLH1ALBPADI6
SCHEMBL7925397 0.77 C3AR1 (0.52) C3AR1FOLH1ALBPADI6
SCHEMBL188589 0.77 C3AR1 (0.52) C3AR1FOLH1ALBPADI6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 CAPN1 1201/4885C3AR1 1/4885ACHE 857/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.